| [1] |
Li Ya-Sha, Sun Lin-Xiang, Zhou Xiao, Chen Kai, Wang Hui-Yao. Structure and excitation characteristics of C5F10O under external electric field based on density functional theory. Acta Physica Sinica,
2020, 69(1): 013101.
doi: 10.7498/aps.69.20191455
|
| [2] |
Li Ya-Sha, Xie Yun-Long, Huang Tai-Huan, Xu Cheng, Liu Guo-Cheng. Molecular structure and properties of salt cross-linked polyethylene under external electric field based on density functional theory. Acta Physica Sinica,
2018, 67(18): 183101.
doi: 10.7498/aps.67.20180808
|
| [3] |
Jiang Yuan-Qi, Peng Ping. Electronic structures of stable Cu-centered Cu-Zr icosahedral clusters studied by density functional theory. Acta Physica Sinica,
2018, 67(13): 132101.
doi: 10.7498/aps.67.20180296
|
| [4] |
Sun Jian-Ping, Zhou Ke-Liang, Liang Xiao-Dong. Density functional study on the adsorption characteristics of O, O2, OH, and OOH of B-, P-doped, and B, P codoped graphenes. Acta Physica Sinica,
2016, 65(1): 018201.
doi: 10.7498/aps.65.018201
|
| [5] |
Sun Jian-Ping, Miao Ying-Meng, Cao Xiang-Chun. Density functional theory studies of O2 and CO adsorption on the graphene doped with Pd. Acta Physica Sinica,
2013, 62(3): 036301.
doi: 10.7498/aps.62.036301
|
| [6] |
Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping. Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica,
2012, 61(24): 246801.
doi: 10.7498/aps.61.246801
|
| [7] |
Chen Xue-Feng, Qi Kai-Tian, Li Bing, Sheng Yong, Zhang Yan, Yang Chuan-Lu. Density functional theory study of silica clusters (SiO2)n-(n≤7). Acta Physica Sinica,
2010, 59(7): 4598-4601.
doi: 10.7498/aps.59.4598
|
| [8] |
Yang Jian, Wang Ni-Ying, Zhu Dong-Jiu, Chen Xuan, Deng Kai-Ming, Xiao Chuan-Yun. Density functional calculation of the geometric and magnetic properties of MPb10（M=Ti，V，Cr，Cu，Pd） clusters. Acta Physica Sinica,
2009, 58(5): 3112-3117.
doi: 10.7498/aps.58.3112
|
| [9] |
Cao Qing-Song, Deng Kai-Ming, Chen Xuan, Tang Chun-Mei, Huang De-Cai. Density functional study on the geometric and electronic properties of MC20F20 （M=Li, Na, Be, Mg）. Acta Physica Sinica,
2009, 58(3): 1863-1869.
doi: 10.7498/aps.58.1863
|
| [10] |
Qi Kai-Tian, Yang Chuan-Lu, Li Bing, Zhang Yan, Sheng Yong. Density functional theory study on TinLa（n=1—7） clusters. Acta Physica Sinica,
2009, 58(10): 6956-6961.
doi: 10.7498/aps.58.6956
|
| [11] |
Tang Chun-Mei, Chen Xuan, Deng Kai-Ming, Hu Feng-Lan, Huang De-Cai, Xia Hai-Yan. The evolution of the structure and electronic properties of the fullerene derivatives C60（CF3）n(n=2, 4, 6, 10): A density functional calculation. Acta Physica Sinica,
2009, 58(4): 2675-2679.
doi: 10.7498/aps.58.2675
|
| [12] |
Jiang Yan-Ling, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Tan Wei-Shi, Huang De-Cai, Liu Yu-Zhen, Wu Hai-Ping. Density functional study on the structural and electronic properties of fullerene-barbituric acid and its dimmer. Acta Physica Sinica,
2008, 57(6): 3690-3697.
doi: 10.7498/aps.57.3690
|
| [13] |
Sheng Yong, Mao Hua-Ping, Tu Ming-Jing. DFT study on the Mg-doped TinMg (n=1—10) clusters. Acta Physica Sinica,
2008, 57(7): 4153-4158.
doi: 10.7498/aps.57.4153
|
| [14] |
Bai Yu-Jie, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Chen Xuan, Tan Wei-Shi, Liu Yu-Zhen, Huang De-Cai. Density functional calculations on the geometric and electronic structures of the endohedral fullerene H2＠C60 and its dimmer. Acta Physica Sinica,
2008, 57(6): 3684-3689.
doi: 10.7498/aps.57.3684
|
| [15] |
Jiao Yu-Qiu, Zhao Kun, Lu Gui-Wu. Density functional theory studies on spectral properties of H3PAuPh and (H3PAu)2(1,4-C6H4)2. Acta Physica Sinica,
2008, 57(3): 1592-1598.
doi: 10.7498/aps.57.1592
|
| [16] |
Chen Teng, Liu Ting-Yu, Zhang Qi-Ren, Tian Dong-Sheng, Zhang Xiu-Yan, Yi Zhi-Jun. The interstitial oxygen atoms and its effects for optical properties of PWO crystals. Acta Physica Sinica,
2007, 56(1): 474-479.
doi: 10.7498/aps.56.474
|
| [17] |
Yao Ming-Zhen, Gu Mu. Theoretical study on defects associated with oxygen vacancy in PbWO4 crystal. Acta Physica Sinica,
2003, 52(2): 459-462.
doi: 10.7498/aps.52.459
|
| [18] |
Yao Ming-Zhen, Liang Ling, Gu Mu, Duan Yong, Ma Xiao-Hui. . Acta Physica Sinica,
2002, 51(1): 125-128.
doi: 10.7498/aps.51.125
|
| [19] |
LIU BO, SHI CHAO-SHU, WEI YA-GUANG, WU CAN, LI YU-XIONG, HU GUAN-QIN, SHEN DING -ZHONG. INFLUENCE OF Y3＋-DOPING ON THERMOLUMINESCENCE OF PbWO4. Acta Physica Sinica,
2000, 49(10): 2078-2082.
doi: 10.7498/aps.49.2078
|
| [20] |
TONG HONG-YONG, GU MU, TANG XUE-FENG, LIANG LING, YAO MING-ZHEN. ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY. Acta Physica Sinica,
2000, 49(8): 1545-1549.
doi: 10.7498/aps.49.1545
|
下载:
